Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28747558 | 0.95 | ADORA3 (0.57) | ADORA3PDE4DMEN1KMT2AALDH1A1 | |
| SCHEMBL29682173 | 0.92 | ADORA3 (0.50) | ADORA3PDE4DMEN1KMT2AALDH1A1 | |
| SCHEMBL29681956 | 0.92 | ALDH1A1 (0.51) | ADORA3PDE4DMEN1KMT2AALDH1A1 | |
| SCHEMBL28747616 | 0.92 | ADORA3 (0.50) | ADORA3PDE4DMEN1KMT2AALDH1A1 | |
| SCHEMBL28747618 | 0.92 | ADORA3 (0.50) | ADORA3PDE4DMEN1KMT2AALDH1A1 | |
| SCHEMBL29681794 | 0.91 | PDE4D (0.50) | ADORA3PDE4DMEN1KMT2AALDH1A1 | |
| SCHEMBL29681753 | 0.90 | ADORA3 (0.48) | ADORA3PDE4DMEN1KMT2AALDH1A1 | |
| SCHEMBL28747548 | 0.88 | ADORA3 (0.50) | ADORA3PDE4DMEN1KMT2AALDH1A1 | |
| SCHEMBL28747593 | 0.88 | ADORA3 (0.50) | ADORA3PDE4DMEN1KMT2AALDH1A1 | |
| SCHEMBL28747584 | 0.87 | MEN1 (0.60) | MEN1KMT2AALDH1A1CYP2C9CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114560811-A | 1,3, 5-trisubstituted-pyrazole-4 carboxylic acid derivative and preparation method and application thereof | 中国药科大学 | 2022-05-31 | — | — | CN | disclosed |